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1345471-53-5 | 5-Iodo-1-isobutylpyrazole
CAS No: 1345471-53-5 Catalog No: AG007M38 MDL No:MFCD20441940
Product Description
Catalog Number:
AG007M38
Chemical Name:
5-Iodo-1-isobutylpyrazole
CAS Number:
1345471-53-5
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD20441940
IUPAC Name:
5-iodo-1-(2-methylpropyl)pyrazole
InChI:
InChI=1S/C7H11IN2/c1-6(2)5-10-7(8)3-4-9-10/h3-4,6H,5H2,1-2H3
InChI Key:
WRMLAMSELPMHOT-UHFFFAOYSA-N
SMILES:
CC(Cn1nccc1I)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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